N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide

C19H19N5O3 — CID 136526765

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C19H19N5O3/c25-19(23-15-10-22-24(12-15)13-17-5-2-8-26-17)14-3-1-4-16(9-14)27-18-11-20-6-7-21-18/h1,3-4,6-7,9-12,17H,2,5,8,13H2,(H,23,25)
InChIKeyNUEKEEJGXMGEMC-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.90
Rot. Bonds6

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide (PubChem CID 136526765) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide
PubChem CID136526765
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1cccc(Oc2cnccn2)c1
InChIInChI=1S/C19H19N5O3/c25-19(23-15-10-22-24(12-15)13-17-5-2-8-26-17)14-3-1-4-16(9-14)27-18-11-20-6-7-21-18/h1,3-4,6-7,9-12,17H,2,5,8,13H2,(H,23,25)
InChIKeyNUEKEEJGXMGEMC-UHFFFAOYSA-N
XLogP2.90
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
CID 129355829
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 129356006
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide (CID 136526765) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide is O=C(Nc1cnn(CC2CCCO2)c1)c1cccc(Oc2cnccn2)c1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide?
The InChIKey is NUEKEEJGXMGEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-19(23-15-10-22-24(12-15)13-17-5-2-8-26-17)14-3-1-4-16(9-14)27-18-11-20-6-7-21-18/h1,3-4,6-7,9-12,17H,2,5,8,13H2,(H,23,25).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide has a molecular weight of 365.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide is sourced from PubChem (CID 136526765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).